SCHEMBL28008679

SCHEMBL28008679

CCCCC(OCC)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43
CNR2 P34972 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
FAAH O00519 7/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28008251 0.91 PPARA (0.47) TDP1PPARGPPARAPPARDATM
SCHEMBL11977567 0.87 ALOX5 (0.41) TDP1PPARGPPARAALOX5PTGES
SCHEMBL28008652 0.84 L3MBTL1 (0.46) TDP1PPARGPPARAPPARDATM
SCHEMBL11977569 0.82 ALOX5 (0.41) TDP1PPARGPPARAALOX5PTGES
SCHEMBL11977566 0.82 KDM4E (0.41) TDP1PPARGPPARAALOX5PTGES
SCHEMBL27527798 0.81 ZDHHC7 (0.47) TDP1PPARGPPARAPPARDALOX5
SCHEMBL19105264 0.81 TDP1 (0.58) TDP1PPARGPPARAALOX5CNR2
SCHEMBL2289616 0.81 ATM (0.51) TDP1PPARGPPARAALOX5PTGES
SCHEMBL27559238 0.81 ZDHHC2 (0.46) TDP1CNR2ALDH1A1FAAHZDHHC2
SCHEMBL28598689 0.80 ELANE (0.43) TDP1PPARGPPARAPPARDATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed